6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione

C18H22N6O3 — CID 172572670

IUPAC6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESCCNc1cc(Nc2cc(C)c3n(c2=O)C2(CCOCC2)NC3=O)ncn1
InChIInChI=1S/C18H22N6O3/c1-3-19-13-9-14(21-10-20-13)22-12-8-11(2)15-16(25)23-18(24(15)17(12)26)4-6-27-7-5-18/h8-10H,3-7H2,1-2H3,(H,23,25)(H2,19,20,21,22)
InChIKeyLVRYPXAEFDYYCM-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.33
Rot. Bonds4

About 6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione

6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (PubChem CID 172572670) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.

Molecular Properties

Compound Name6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
PubChem CID172572670
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESCCNc1cc(Nc2cc(C)c3n(c2=O)C2(CCOCC2)NC3=O)ncn1
InChIInChI=1S/C18H22N6O3/c1-3-19-13-9-14(21-10-20-13)22-12-8-11(2)15-16(25)23-18(24(15)17(12)26)4-6-27-7-5-18/h8-10H,3-7H2,1-2H3,(H,23,25)(H2,19,20,21,22)
InChIKeyLVRYPXAEFDYYCM-UHFFFAOYSA-N
XLogP1.33
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 162431069
6-[[6-(ethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 172572669
6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598796
CID 166460731
CID 166460731
CID 167457399
CID 167457399
CID 166460767
CID 166460767
CID 166460764
CID 166460764
CID 166460720
CID 166460720
CID 178083822
CID 178083822
CID 167457384
CID 167457384
6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-1'-propylspiro[2H-imidazo[1,5-a]pyridine-3,7'-cycloheptene]-1,5-dione
CID 162740187
8-chloro-6-[(6-methylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118598712

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The IUPAC name of 6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (CID 172572670) is 6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.
What is the SMILES notation for 6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The canonical SMILES for 6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is CCNc1cc(Nc2cc(C)c3n(c2=O)C2(CCOCC2)NC3=O)ncn1.
What is the InChIKey of 6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The InChIKey is LVRYPXAEFDYYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-3-19-13-9-14(21-10-20-13)22-12-8-11(2)15-16(25)23-18(24(15)17(12)26)4-6-27-7-5-18/h8-10H,3-7H2,1-2H3,(H,23,25)(H2,19,20,21,22).
What are the key properties of 6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione has a molecular weight of 370.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is sourced from PubChem (CID 172572670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).